CID 139594334

Sulfonylbiuret

Structural Information

Molecular Formula
C11H13N5O6S2
SMILES
CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC(=O)N
InChI
InChI=1S/C11H13N5O6S2/c1-2-23(19,20)8-9(16-6-4-3-5-7(16)13-8)24(21,22)15-11(18)14-10(12)17/h3-6H,2H2,1H3,(H4,12,14,15,17,18)
InChIKey
BHWWJVNMPYFYSB-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

375.03073 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.03801 181.0
[M+Na]+ 398.01995 188.7
[M-H]- 374.02345 182.6
[M+NH4]+ 393.06455 192.1
[M+K]+ 413.99389 184.6
[M+H-H2O]+ 358.02799 174.6
[M+HCOO]- 420.02893 192.7
[M+CH3COO]- 434.04458 213.9
[M+Na-2H]- 396.00540 187.0
[M]+ 375.03018 185.6
[M]- 375.03128 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.